5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
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![5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/15265bcff7454e04a3203bb3297aa935.png "5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one")
5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
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CAS No:
95588-08-2
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Formula:
C21H25NO3S
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Chemical Name:
5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
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Synonyms:
6,7-dihydro-5-(((2-hydroxy-3-phenoxycyclopentyl)amino)methyl)-2-methylbenzo(b)thiophen-4(5H)-one;MDL 19744A;MDL 19744A, (+-)-isomer;MDL-19,744A;TIPENTOSIN;UNII-1E3N5X9H1Y;1E3N5X9H1Y;5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one;95588-08-2;Mdl 19744A;Tipentosin [INN:BAN];Mdl-19,744A;CHEMBL2111148;6,7-Dihydro-5-(((2-hydroxy-3-phenoxycyclopentyl)amino)methyl)-2-methylbenzo(b)thiophen-4(5H)-one;97233-26-6;Q27252311;UNII-1E3N5X9H1Y component IMKMRGOTDDUQHF-MAHSACTOSA-N
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CAS No:
5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one Basic Attributes
371.5 g/mol
371.15551483 g/mol
1E3N5X9H1Y
Drug Information
6,7-dihydro-5-(((2-hydroxy-3-phenoxycyclopentyl)amino)methyl)-2-methylbenzo(b)thiophen-4(5H)-one
Computed Properties
Molecular Weight:371.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:371.15551483
Monoisotopic Mass:371.15551483
Topological Polar Surface Area:86.8
Heavy Atom Count:26
Complexity:496
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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